1,1-dimethyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclopentane

C14H31N3O2S — CID 106071032

IUPAC1,1-dimethyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclopentane
SMILESCCCNCCCN(C)S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C14H31N3O2S/c1-5-10-15-11-7-12-17(4)20(18,19)16-13-8-6-9-14(13,2)3/h13,15-16H,5-12H2,1-4H3
InChIKeyROJVHMXPPHCGQN-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.72
Rot. Bonds9

About 1,1-dimethyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclopentane

1,1-dimethyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclopentane (PubChem CID 106071032) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is 1,1-dimethyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclopentane.

Molecular Properties

Compound Name1,1-dimethyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclopentane
PubChem CID106071032
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name1,1-dimethyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclopentane
SMILESCCCNCCCN(C)S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C14H31N3O2S/c1-5-10-15-11-7-12-17(4)20(18,19)16-13-8-6-9-14(13,2)3/h13,15-16H,5-12H2,1-4H3
InChIKeyROJVHMXPPHCGQN-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclopentane?
The IUPAC name of 1,1-dimethyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclopentane (CID 106071032) is 1,1-dimethyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclopentane.
What is the SMILES notation for 1,1-dimethyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclopentane?
The canonical SMILES for 1,1-dimethyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclopentane is CCCNCCCN(C)S(=O)(=O)NC1CCCC1(C)C.
What is the InChIKey of 1,1-dimethyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclopentane?
The InChIKey is ROJVHMXPPHCGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-5-10-15-11-7-12-17(4)20(18,19)16-13-8-6-9-14(13,2)3/h13,15-16H,5-12H2,1-4H3.
What are the key properties of 1,1-dimethyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclopentane?
1,1-dimethyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclopentane has a molecular weight of 305.49 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclopentane is sourced from PubChem (CID 106071032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).